N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide

C19H31N5O — CID 95228903

IUPACN-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCC1(C)CC(N2CC[C@@H](CNC(=O)c3cnccn3)C2)CC(C)(C)N1
InChIInChI=1S/C19H31N5O/c1-18(2)9-15(10-19(3,4)23-18)24-8-5-14(13-24)11-22-17(25)16-12-20-6-7-21-16/h6-7,12,14-15,23H,5,8-11,13H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyCBLKDYKUOOBMFO-AWEZNQCLSA-N
MW345.49 g/mol
LogP1.84
Rot. Bonds4

About N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide

N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 95228903) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID95228903
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCC1(C)CC(N2CC[C@@H](CNC(=O)c3cnccn3)C2)CC(C)(C)N1
InChIInChI=1S/C19H31N5O/c1-18(2)9-15(10-19(3,4)23-18)24-8-5-14(13-24)11-22-17(25)16-12-20-6-7-21-16/h6-7,12,14-15,23H,5,8-11,13H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyCBLKDYKUOOBMFO-AWEZNQCLSA-N
XLogP1.84
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 56738478
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide
CID 121229452
N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 131927095
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
ethyl [4-[4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carbonyl]phenyl] carbonate
CID 108930118
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
CID 133141737
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide (CID 95228903) is N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide is CC1(C)CC(N2CC[C@@H](CNC(=O)c3cnccn3)C2)CC(C)(C)N1.
What is the InChIKey of N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is CBLKDYKUOOBMFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H31N5O/c1-18(2)9-15(10-19(3,4)23-18)24-8-5-14(13-24)11-22-17(25)16-12-20-6-7-21-16/h6-7,12,14-15,23H,5,8-11,13H2,1-4H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 95228903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).